(1s 2 2s 2 2p 5 3p 1 ) 1 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.179647 | .54604252 |
| 2 | 3p | 3.019455 | -1.18465749 |
| 3 | 4p | 8.092318 | -.07123064 |
| 4 | 2p | 12.163115 | .04718234 |
| 5 | 5p | 21.007221 | .00194481 |
| 6 | 5p | 3.141836 | .01548017 |
| 7 | 3p | 37.426378 | -.00002096 |
| ORB.ENERGY,a.u. | -4.480100 | ||
| NORM | 1.000000 | < R > | 1.238730 | < R2 > | 1.754880 | < 1/R > | 1.091059 | < 1/R**2 > | 2.567011 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.821821 | 1.19990244 |
| 2 | 3p | 6.803659 | -.27027615 |
| 3 | 2p | 12.971638 | .06893154 |
| 4 | 4p | 15.844664 | .00927135 |
| 5 | 5p | 4.511113 | .00104211 |
| 6 | 5p | 39.215342 | -.00014274 |
| ORB.ENERGY,a.u. | -13.599000 | ||
| NORM | 1.000000 | < R > | .387982 | < R2 > | .185113 | < 1/R > | 3.317518 | < 1/R**2 > | 15.195135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.585918 | .39174925 |
| 2 | 2s | 7.172065 | -.84265191 |
| 3 | 3s | 6.474377 | -.30534638 |
| 4 | 4s | 17.182383 | .00413133 |
| 5 | 3s | 18.190595 | .00770083 |
| 6 | 5s | 34.005312 | .00115014 |
| 7 | 5s | 5.795893 | -.00528287 |
| 8 | 4s | 40.727715 | .00032276 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430617 | < R2 > | .218758 | < 1/R > | 3.399614 | < 1/R**2 > | 47.365082 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.180905 | .92774536 |
| 2 | 1s | 23.797033 | .06815129 |
| 3 | 2s | 10.230028 | .02121740 |
| 4 | 3s | 12.574986 | -.02156850 |
| 5 | 4s | 15.447027 | .01076724 |
| 6 | 5s | 40.736095 | .00056515 |
| 7 | 4s | 84.565583 | -.00004896 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091170 | < R2 > | .011162 | < 1/R > | 16.574055 | < 1/R**2 > | 553.724051 |
Total Energy= -436.50378847 a.u.
Kinetic Energy= 436.48178351 a.u.
Potential Energy= -872.98557198 a.u.
Virial Ratio = -2.00005041